6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide

C26H31N7O2 — CID 175501345

IUPAC6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(N3CCN(C4CC4)CC3)cn2)ncc1C(N)=O
InChIInChI=1S/C26H31N7O2/c1-2-35-23-6-4-3-5-21(23)30-22-15-25(29-17-20(22)26(27)34)31-24-10-9-19(16-28-24)33-13-11-32(12-14-33)18-7-8-18/h3-6,9-10,15-18H,2,7-8,11-14H2,1H3,(H2,27,34)(H2,28,29,30,31)
InChIKeyMIZADDWIBGENLU-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.75
Rot. Bonds9

About 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide

6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 175501345) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
PubChem CID175501345
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(N3CCN(C4CC4)CC3)cn2)ncc1C(N)=O
InChIInChI=1S/C26H31N7O2/c1-2-35-23-6-4-3-5-21(23)30-22-15-25(29-17-20(22)26(27)34)31-24-10-9-19(16-28-24)33-13-11-32(12-14-33)18-7-8-18/h3-6,9-10,15-18H,2,7-8,11-14H2,1H3,(H2,27,34)(H2,28,29,30,31)
InChIKeyMIZADDWIBGENLU-UHFFFAOYSA-N
XLogP3.75
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide with MolForge

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Related Compounds

4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501403
4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501379
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501407
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501362
4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118371240
4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501423
4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501424
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-ethylanilino)pyridine-3-carboxamide
CID 175501425
6-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(2,4-difluoroanilino)-7-ethoxyquinoline-3-carboxamide
CID 44571336
6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 175501369
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501344

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide (CID 175501345) is 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccccc1Nc1cc(Nc2ccc(N3CCN(C4CC4)CC3)cn2)ncc1C(N)=O.
What is the InChIKey of 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is MIZADDWIBGENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-2-35-23-6-4-3-5-21(23)30-22-15-25(29-17-20(22)26(27)34)31-24-10-9-19(16-28-24)33-13-11-32(12-14-33)18-7-8-18/h3-6,9-10,15-18H,2,7-8,11-14H2,1H3,(H2,27,34)(H2,28,29,30,31).
What are the key properties of 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide?
6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 175501345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).